KEGG   COMPOUND: C12691Help
Entry
C12691                      Compound                               

Name
Cefacetrile sodium;
Cephacetrile sodium
Formula
C13H12N3O6S. Na
Exact mass
361.0345
Mol weight
361.3056
Structure
Mol fileKCF fileDB search
Remark
Same as: D01262
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01D OTHER BETA-LACTAM ANTIBACTERIALS
    J01DB First-generation cephalosporins
     J01DB10 Cefacetrile
      D01262  Cephacetrile sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 23239-41-0
PubChem: 583081
ChEBI: 31364
ChEMBL: CHEMBL2104099
NIKKAJI: J15.821F
KCF data Show

ATOM        24
            1   C1y C    27.1957  -14.5675
            2   N1y N    27.1957  -15.9692
            3   C2y C    28.4096  -16.6700
            4   C2y C    29.6236  -15.9692
            5   C1x C    29.6236  -14.5675
            6   S2x S    28.4096  -13.8666
            7   C1y C    25.7940  -14.5675
            8   C5x C    25.7940  -15.9692
            9   N1b N    24.5801  -13.8666
            10  C5a C    23.3661  -14.5675
            11  O5a O    23.3661  -15.9692
            12  O5x O    24.5801  -16.6700
            13  C1b C    22.1523  -13.8666
            14  C3b C    20.9384  -14.5675
            15  C1b C    30.8562  -16.6811
            16  O7a O    32.0628  -15.9845
            17  C7a C    33.2466  -16.6681
            18  C1a C    34.4421  -15.9780
            19  O6a O    33.2466  -18.0716
            20  C6a C    28.4096  -18.0716
            21  O6a O    27.1789  -18.7823
            22  O6a O    29.6066  -18.7628 #-
            23  N3a N    19.7244  -15.2683
            24  Z   Na   31.0100  -18.7600 #+
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     2   8 1
            10    7   9 1 #Up
            11    9  10 1
            12   10  11 2
            13    8  12 2
            14   10  13 1
            15   13  14 1
            16    4  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21    3  20 1
            22   20  21 2
            23   20  22 1
            24   14  23 3

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